2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H25FN4O — CID 119065189

About 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119065189) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 119065189
• Molecular Formula: C21H25FN4O
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.20
• IUPAC Name: 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: CCc1cnc(N2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)nc1
• InChI: InChI=1S/C21H25FN4O/c1-2-16-12-23-20(24-13-16)26-11-9-21(15-26)8-5-10-25(19(21)27)14-17-6-3-4-7-18(17)22/h3-4,6-7,12-13H,2,5,8-11,14-15H2,1H3
• InChIKey: FTLVOVPMVPBAEZ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 119065189) is 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCc1cnc(N2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)nc1.

What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is FTLVOVPMVPBAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-2-16-12-23-20(24-13-16)26-11-9-21(15-26)8-5-10-25(19(21)27)14-17-6-3-4-7-18(17)22/h3-4,6-7,12-13H,2,5,8-11,14-15H2,1H3.

What are the key properties of 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119065189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).